SCHEMBL16467167

SCHEMBL16467167

CC(COC1CCCCC1)C(=O)OC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.45
EPHX1 P07099 2/20 0.43
NAAA Q02083 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 1/20 0.39
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 1/20 0.35
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 1/20 0.34
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
LTA4H P09960 1/20 0.33
ANPEP P15144 1/20 0.33
LAP3 P28838 1/20 0.33
NPEPPS P55786 1/20 0.33
ERAP2 Q6P179 1/20 0.33
ERAP1 Q9NZ08 1/20 0.33
ALDH1A1 P00352 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16467209 0.98 CYP19A1 (0.43) CYP19A1EPHX1NAAAL3MBTL1HTT
SCHEMBL13113342 0.86 CYP19A1 (0.45) CYP19A1EPHX1NAAAL3MBTL1HTT
SCHEMBL27587439 0.81 CYP19A1 (0.47) CYP19A1EPHX1NAAAL3MBTL1HTT
SCHEMBL786258 0.81 EPHX1 (0.50) CYP19A1EPHX1NAAAL3MBTL1HTT
SCHEMBL14987803 0.80 CYP19A1 (0.46) CYP19A1EPHX1NAAAL3MBTL1HTT
SCHEMBL14987801 0.80 CYP19A1 (0.46) CYP19A1EPHX1NAAAL3MBTL1HTT
SCHEMBL18346675 0.80 CYP19A1 (0.46) CYP19A1EPHX1NAAAL3MBTL1HTT
SCHEMBL22652326 0.80 CYP19A1 (0.46) CYP19A1EPHX1NAAAL3MBTL1HTT
SCHEMBL878503 0.80 TSHR (0.37) EPHX1HTTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL7223651 0.80 CYP19A1 (0.46) CYP19A1EPHX1NAAAL3MBTL1HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150119604-A1 METHOD FOR PRODUCING BETA-ALKOXYPROPIONAMIDE IDEMITSU KOSAN CO., LTD. (JP) 2015-04-30 US disclosed
EP-2837619-A1 METHOD FOR PRODUCING BETA -ALKOXYPROPIONAMIDE Idemitsu Kosan Co., Ltd (JP) 2015-02-18 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150119604-A1 METHOD FOR PRODUCING BETA-ALKOXYPROPIONAMIDE HACL2, APEH, NAAA CYP19A1 125/4885EPHX1 457/4885NAAA 3/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.